[4-[4-(2-methylbutan-2-yl)anilino]cyclohexyl] carbamate

C18H28N2O2 — CID 175562141

IUPAC[4-[4-(2-methylbutan-2-yl)anilino]cyclohexyl] carbamate
SMILESCCC(C)(C)c1ccc(NC2CCC(OC(N)=O)CC2)cc1
InChIInChI=1S/C18H28N2O2/c1-4-18(2,3)13-5-7-14(8-6-13)20-15-9-11-16(12-10-15)22-17(19)21/h5-8,15-16,20H,4,9-12H2,1-3H3,(H2,19,21)
InChIKeyPTMPXYGYOMFLTJ-UHFFFAOYSA-N
MW304.43 g/mol
LogP4.19
Rot. Bonds5

About [4-[4-(2-methylbutan-2-yl)anilino]cyclohexyl] carbamate

[4-[4-(2-methylbutan-2-yl)anilino]cyclohexyl] carbamate (PubChem CID 175562141) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is [4-[4-(2-methylbutan-2-yl)anilino]cyclohexyl] carbamate.

Molecular Properties

Compound Name[4-[4-(2-methylbutan-2-yl)anilino]cyclohexyl] carbamate
PubChem CID175562141
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name[4-[4-(2-methylbutan-2-yl)anilino]cyclohexyl] carbamate
SMILESCCC(C)(C)c1ccc(NC2CCC(OC(N)=O)CC2)cc1
InChIInChI=1S/C18H28N2O2/c1-4-18(2,3)13-5-7-14(8-6-13)20-15-9-11-16(12-10-15)22-17(19)21/h5-8,15-16,20H,4,9-12H2,1-3H3,(H2,19,21)
InChIKeyPTMPXYGYOMFLTJ-UHFFFAOYSA-N
XLogP4.19
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[4-(2-methylbutan-2-yl)anilino]cyclopentyl] carbamate
CID 175562349
[3-(4-tert-butylanilino)cyclobutyl] carbamate
CID 175562231
2-[4-(cyclopropylamino)phenyl]-2-methylpropan-1-ol
CID 175501471
[4-(4-ethenyl-3-methylanilino)cyclohexyl] carbamate
CID 175562160
[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]urea
CID 129255825
[(1S,3S)-3-(tert-butylamino)cyclopentyl] carbamate
CID 177250020
4-(cyclopropylamino)benzamide
CID 103605968
[4-(cyclopropylamino)phenyl]urea
CID 103439135
4-N-(4-ethoxyphenyl)-1-N-methylcyclohexane-1,4-diamine
CID 117027472
[4-[3-chloro-4-[4-(trifluoromethyl)piperidin-1-yl]anilino]cyclohexyl] carbamate
CID 175562245
[4-(4-propan-2-ylanilino)cyclohexyl]methyl carbamate
CID 175562113
2-[4-[(4-propan-2-ylcyclohexyl)amino]phenoxy]acetamide
CID 62708775

Frequently Asked Questions

What is the IUPAC name of [4-[4-(2-methylbutan-2-yl)anilino]cyclohexyl] carbamate?
The IUPAC name of [4-[4-(2-methylbutan-2-yl)anilino]cyclohexyl] carbamate (CID 175562141) is [4-[4-(2-methylbutan-2-yl)anilino]cyclohexyl] carbamate.
What is the SMILES notation for [4-[4-(2-methylbutan-2-yl)anilino]cyclohexyl] carbamate?
The canonical SMILES for [4-[4-(2-methylbutan-2-yl)anilino]cyclohexyl] carbamate is CCC(C)(C)c1ccc(NC2CCC(OC(N)=O)CC2)cc1.
What is the InChIKey of [4-[4-(2-methylbutan-2-yl)anilino]cyclohexyl] carbamate?
The InChIKey is PTMPXYGYOMFLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-4-18(2,3)13-5-7-14(8-6-13)20-15-9-11-16(12-10-15)22-17(19)21/h5-8,15-16,20H,4,9-12H2,1-3H3,(H2,19,21).
What are the key properties of [4-[4-(2-methylbutan-2-yl)anilino]cyclohexyl] carbamate?
[4-[4-(2-methylbutan-2-yl)anilino]cyclohexyl] carbamate has a molecular weight of 304.43 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2-methylbutan-2-yl)anilino]cyclohexyl] carbamate is sourced from PubChem (CID 175562141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).